Combined experimental and first-principles studies of structural and physical properties of beta-Ti3SiC2
文献类型：期刊论文
| 作者 | Zhang, Linqi2,3,4; Sun, Jianrong2,4 ; Gao, Xing2,4; Deng, Tianyu2,3,4; Cheng, Zhaoyi2,4; Tai, Pengfei4; Chang, Hailong4; Xie, Erqing3; Chen, Jinya1; Xia, Mengxin5
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| 刊名 | JOURNAL OF APPLIED PHYSICS
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| 出版日期 | 2020-12-14 |
| 卷号 | 128期号:22页码:10 |
| ISSN号 | 0021-8979 |
| DOI | 10.1063/5.0029875 |
| 通讯作者 | Sun, Jianrong(sunjr@impcas.ac.cn) |
| 英文摘要 | MAX phase materials have shown a series of interesting, even sometimes unusual, properties and exhibited combined attributes of both metals and ceramics, which are due to their "layered ternary transition metal carbides" structures. In the process of studying the multistage phase transformation of 312-MAX phase materials, we found that there were some confusions and mistakes when describing the crystal structures of the beta-phase in the existing literature. In order to clarify their structural and physical properties, the beta-phase Ti3SiC2 materials have been prepared by using 500keV He2+-ion irradiation-induced phase transformation and examined by first-principles calculations and Rietveld analysis of grazing incidence x-ray diffraction patterns. Two accurate descriptions of the beta-Ti3SiC2 structure are given here. In order to avoid confusion again, it is recommended to use one of the two descriptions uniformly. In addition, some physical properties parameters of beta-Ti3SiC2 have been calculated and compared, which also confirmed the correctness of the structure description. Finally, the vacancy formation energies of beta-Ti3SiC2 have been predicted and discussed in detail from the points of phase stability and transformation for the first time. Published under license by AIP Publishing. |
| WOS关键词 | TOTAL-ENERGY CALCULATIONS ; AB-INITIO ; MAX-PHASES ; ELASTIC PROPERTIES ; IRRADIATION RESISTANCE ; MECHANICAL-PROPERTIES ; M(N+1)AX(N) PHASES ; TERNARY CARBIDES ; TI3SIC2 ; STABILITY |
| 资助项目 | National Natural Science Foundation of China (NNSFC)[12075293] ; Instrument Developing Project of the Chinese Academy of Sciences[E028341Y] ; Youth Innovation Promotion Association of the Chinese Academy of Sciences[2016365] |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000598506800002 |
| 出版者 | AMER INST PHYSICS |
| 资助机构 | National Natural Science Foundation of China (NNSFC) ; Instrument Developing Project of the Chinese Academy of Sciences ; Youth Innovation Promotion Association of the Chinese Academy of Sciences |
| 源URL | [http://119.78.100.186/handle/113462/138423]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Sun, Jianrong |
| 作者单位 | 1.Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China 2.Univ Chinese Acad Sci, Sch Nucl Sci & Technol, Beijing 100049, Peoples R China 3.Lanzhou Univ, Sch Phys Sci & Technol, Lanzhou 730000, Peoples R China 4.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China 5.Nanyang Technol Univ, Sch Chem & Biomed Engn, Singapore 637459, Singapore |
| 推荐引用方式 GB/T 7714 | Zhang, Linqi,Sun, Jianrong,Gao, Xing,et al. Combined experimental and first-principles studies of structural and physical properties of beta-Ti3SiC2[J]. JOURNAL OF APPLIED PHYSICS,2020,128(22):10. |
| APA | Zhang, Linqi.,Sun, Jianrong.,Gao, Xing.,Deng, Tianyu.,Cheng, Zhaoyi.,...&Xia, Mengxin.(2020).Combined experimental and first-principles studies of structural and physical properties of beta-Ti3SiC2.JOURNAL OF APPLIED PHYSICS,128(22),10. |
| MLA | Zhang, Linqi,et al."Combined experimental and first-principles studies of structural and physical properties of beta-Ti3SiC2".JOURNAL OF APPLIED PHYSICS 128.22(2020):10. |
入库方式： OAI收割
来源：近代物理研究所
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